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At least 235 records · Page 13

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NASA NTRSDate not supplied

Fast Aircraft Separation Calculations for Gradient Based Optimization of Airspace Simulations

Simulations of airspace operational concepts can play a significant role in determining future paradigms that would allow for a safe increase in airspace density. In particular, airspace simulations which are capable of handling large numbers of aircraft act as an enabling capability for the testing of proposed airspace operational concepts. Simulations allowing for gradient based optimization methods are particularly attractive, since they would potentially allow for an efficient and empirical means to derive best operational practices. These could also allow for vehicle multidisciplinary design and optimization studies to include air traffic management considerations as a discipline. But any large scale simulation of airspace operations must include some methodology for addressing airspace separation requirements, which in the most direct sense would be tracked in a manner that computationally grows as a quadratic function of the number of simulated aircraft. Efficient indirect methods have been developed in certain contexts to address this limitation. However, any means of addressing separation requirements in a gradient based optimization context should be implemented by functions which provide analytic derivative information to maximize numerical precision and computational efficiency. In this paper, a fast and differentiable separation metric is described in application to gradient based optimization of airspace operations. Rather than computing the separation distance between every pair of aircraft in a simulation, this method effectively reduces the problem to a smaller relevant set using a geometric decomposition. This method guarantees that the smallest distance at all points in simulated time is determined exactly. When used in an optimization constraint context, this guarantees that a minimum separation is maintained between all pairs of aircraft. The presented metric has logarithmic computational growth with respect to the number of simulated aircraft, and is shown to perform well in a series of notional 2D airspace optimization problems when used to enforce specified airborne separation constraints. Results show that this is notably faster than a direct pairwise distance computing metric for optimizations involving both small and large numbers of aircraft, yet enforce separation requirements to the same tolerance. It is shown that this favorable scalability is an enabling capability for more sophisticated air traffic management conceptual studies.

Optimization↗

NASA NTRSDate not supplied

Validation Experiments for Turbulent Separation over an Axisymmetric Body of Revolution

Historically, the flow physics involved with most turbulent separated flows have presented fundamental challenges to validating numerical approaches. As recognized by the CFD Vision 2030 study commissioned by NASA, validation of Reynolds-averaged Navier-Stokes (RANS) models and other scale-resolving methods for turbulent separated flow requires data from advanced, high-fidelity experiments designed specifically for CFD implementation. In accordance with this effort, a new test platform, referred to as the NASA Axisymmetric Afterbody, was designed to obtain detailed measurements of the flow field undergoing a smooth, adverse pressure gradient induced separation for a fixed Reynolds number, Re = 180,000. The parametric body offers a range of flow states progressing from fully attached, to incipient separation, and finally to small-scale separated flow based on variable afterbody geometries. In an initial effort to evaluate RANS turbulence model capabilities, the present configurations of the axisymmetric model host a mild adverse pressure gradient over the contoured boattail section, inducing incipient turbulent separation, as well as a slightly larger adverse pressure gradient, inducing a small-scale region of turbulent separation. Experiments include steady pressure measurements and 2-D PIV to provide the preliminary dataset for simulation studies, which examine the effect of variable grid domains and RANS turbulence models. This is done in an effort to understand and evaluate the critical variability between solutions for the present model configurations. Results indicate potential discrepancies may be due to the effect of the square tunnel test section walls, relatively large blockage ratio, and slight variability in reference parameters. Ongoing work will focus on higher fidelity experimental campaigns to obtain surface flow visualizations and Stereo-Particle Image Velocimetry (SPIV) to deliver higher spatial resolution of the three-dimensional flow field to aid turbulence modelers.

Validation↗

DOE OSTI2023

Metal–Organic Frameworks for C6 Alkane Separation

The separation of alkane isomers is an important yet challenging process in the petrochemical industry. Being a crucial step to produce premium gasoline components as well as optimum ethylene feed, the current industrial separation by distillation is extremely energy intensive. Adsorptive separation based on zeolite is limited by insufficient adsorption capacity. Metal-organic frameworks (MOFs) hold enormous promise as alternative adsorbents due to their diverse structural tunability and exceptional porosity. Precise control of their pore geometry/dimensions has led to superior performance. In this minireview, we highlight the recent progresses in developing MOFs for the separation of C6 alkane isomers. Representative MOFs are reviewed based on their separation mechanisms. Emphasis is put on the material design rationale for achieving optimal separation capability. Lastly, we briefly discuss the existing challenges, possible solutions, and future directions of this important field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Membrane Separations in Biomass Processing

The development of integrated biorefineries and the greater utilization of biomass resources to reduce dependence on fossil fuel-derived products require research emphasis not just on conversion strategies but also on improving separations associated with biorefining. A significant roadblock towards developing biorefineries is the lack of effective separation techniques evidenced by the relative deficiency of literature in this area. Additionally, high conversion yields may only be realized if effective separations generate feedstock of sufficient purity – this makes research into biomass conversion strategies all the more critical. In this review, the challenges associated with biomass separations are discussed, followed by an overview of the most appropriate separation strategies for processing biomass. One of the unit operations most appealing for biorefining, membrane separations (MS), is then considered along with a review of the recent literature utilizing this technique in biomass processing.

09 BIOMASS FUELS↗

DOE OSTI2022

Evaluation of hydrograph separation techniques with uncertain end-member composition

Hydrograph separation is one of many approaches used to analyse shifts in source water contributions to stream flow resulting from climate change in remote watersheds. Understanding these shifts is vital, as shifts in source water contributions to a stream can shape water management decisions. Because remote watersheds are often inaccessible and have poorly characterized contributing water sources, or end-members, it is critical to understand the implications of using different hydrograph separation techniques in these data-limited environments. To explore the uncertainty associated with different techniques, results from two hydrograph separation techniques, mass balance and principle component analysis, were compared using 3 years of aqueous geochemical data from the East River watershed located in the Elk Mountains of Central Colorado. Solute concentrations of the end-members were characterized by both a limited set of direct chemical measurements of different sources and detailed seasonal instream chemistry to examine the influences of uncertain end-member compositions in a data-limited environment. Annual volumetric end-member contributions to stream flow had relatively good agreement across separation techniques. Large variations in time were observed in the hydrograph separations, depending on the end-member type, and estimated flow contributions varied between the selected solutes. End-member concentrations characterized by stream chemistry showed several limitations including a reduced number of distinguishable end-members and differences in timing of flow contributions. Here the results highlight the benefits of using multiple hydrograph separation techniques by providing a ‘weight-of-evidence’ approach to environments with limited end-member concentration data.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

In‐Process Melt Separation of PE/PET Blends for Upcycling via Twin‐Screw Extrusion. Impact of Catalyst Reagents on PET Depolymerization

Part 1 of this work focused on depolymerizing polyethylene terephthalate (PET) in twin-screw extrusion, as part of a broader project to continuously separate PET from polyolefins in the melt. This study focused on linear low-density polyethylene (LLDPE) and PET films and the use of ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TEG), and bis(2-hydroxyethyl) terephthalate (BHET) to depolymerize the PET in the extruder to levels above 90% Mw. In part 2, the focus will shift to achieving separation of the two polymers in the twin-screw extruder, which is made possible due to a 90% reduction in the Mw of the PET, which caused a decrease of its viscosity by several orders of magnitude. Owing to the viscosity difference and pressure buildup in the die, the low-viscosity PET preferentially exited a degassing vent instead of going through the die. This is because the flow of the PET would travel through a non-pressure vent rather than through a high-pressure die. However, owing to the higher viscosity of the LLDPE, the pressure was too high to pass through such a small diameter vent hole. Supercritical CO₂ (SCCO₂) was used to assist in this extraction, but SCCO₂ negatively impacted the overall degree of separation. Through analysis of the separated materials, it was concluded that a very high separation of the two materials was achieved. TGA and FTIR confirmed that the material separated from the vent was 100% PET. The material removed from the die was composed of 90% LLDPE and 10% PET.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Development of a variable tensioning system to reduce separation force in large scale stereolithography

Projection micro stereolithography (PµSL) is an additive manufacturing tool that offers multiple advantages, including unparalleled resolution and throughput, but the ability to print high viscosity resin for large-scale parts is limited. One of the key challenges in PµSL is to separate a newly polymerized layer from the vat floor without damaging the part. Since the separation force scales with the printing area, the risk of damaging the part increases significantly with larger-scale systems and must be addressed. In this paper, a novel roll-to-roll, variable tensioning system is proposed to reduce the separation force during printing. A mathematical model is proposed to predict the separation force for different 2D geometries, and a set of experiments is conducted on an experimental prototype to validate the model. Finally, the effects of different separation parameters including peel rate and peel angle are discussed in detail. The results show that the proposed tensioning system reduces the separation force significantly.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Sorbent-based oxygen separation with YBC114 for energy storage systems

In our report we aimed to design, build, and evaluate an oxygen separation system to provide an inert sweep gas with low oxygen partial pressure (pO2) to redox-active thermochemical energy conversion reactors for a range of applications, including two-step redox cycles for thermochemical energy storage, water splitting, and carbon-dioxide splitting. The separation is based on an oxygen-selective sorbent, YBaCo4O7+δ (YBC114), which has excellent oxygen sorption and desorption properties demonstrated in our previous work. The oxygen separation performance of YBC114 was comprehensively studied by thermogravimetric analysis, sorption breakthrough experiments, and temperature swing sorption - desorption cycles. The results reveal that YBC114 can produce inert sweep gas with an oxygen concentration of less than 100 ppmv for at least 20 min during the thermal swing adsorption (TSA) cycle with the current sorption bed configuration, and the performance is consistent from cycle to cycle. The optimal sorption and desorption temperatures for the TSA process with YBC114 are determined to be 300 °C and 500 °C, respectively. Although challenges remain for the current separation system (e.g., high sorption temperature and slow kinetics), this study demonstrates the potential to use the oxygen-selective sorbent to produce an inert sweep gas, the feasibility of the oxygen separation concept, and guides new sorbent material development to make this application economically practical. A simple procedure is described for designing the YBC114 oxygen separation process.

42 ENGINEERING↗

DOE OSTI2021

Ammonia separation from N 2 and H 2 over LTA zeolitic imidazolate framework membranes

LTA type zeolitic imidazolate framework membranes denoted as ZIF-21 were synthesized and evaluated for the separation of a commodity chemical, ammonia, from nitrogen and hydrogen. Membranes were grown using secondary seeded growth. Ammonia permeances were as high as 1727 GPU, with NH 3 /N 2 , and NH 3 /H 2 ideal selectivities of 35, and 12 respectively. ZIF-21 membranes were also evaluated for gas mixtures composed of 13.8:86.2 NH 3 /N 2 and NH 3 /H 2 , with mixture separation selectivities as high as 7.6 for NH 3 /N 2 . Differences in adsorption, and diffusivities were identified as the key separation mechanisms. Specifically, for both gas pairs the polar-polar interaction between ammonia and the linker polar channels, led to the preferential adsorption of ammonia, and therefore favored thermodynamically the separation of ammonia from nitrogen and hydrogen. In addition, for NH 3 /N 2 gas pair, differences in diffusivities was a contributing separation mechanism. For NH 3 /H 2 gas pair, due to the faster hydrogen diffusivity, the kinetic contribution was a strong competing separation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Pyrazine-Fused Porous Graphitic Framework-Based Mixed Matrix Membranes for Enhanced Gas Separations

Membrane-based separations can mitigate the capital- and energy-intensive challenges associated with traditional thermally driven processes. To further push the boundary of gas separations, mixed matrix membranes (MMMs) have been extensively exploited; however, identifying an optimal nanofiller to boost the separation performance of MMMs beyond Robeson permeability-selectivity upper bounds remains an ongoing challenge. In this study, a new class of MMMs based on pyrazine-fused crystalline porous graphitic frameworks (PGFs) is reported. At a loading of 6 wt % PGFs, the MMMs surpass the current H 2 /CH 4 Robeson upper bound, ideally suited for applications such as H 2 regeneration. In addition, the fabricated MMMs exhibit appealing CO 2 separation performance, closely approaching the current Robeson upper bounds for CO 2 separation. Compared with the pristine polymeric membranes, the PGF-based MMMs display a record-high enhancement of gas permeability over 120% while maintaining intrinsic gas selectivities. Highlighting the crucial role of the crystallinity of nanofillers, this study demonstrates a facile and effective approach in formulating high-performance MMMs, complementing state-of-the-art membrane formation processes. The design principles open the door to energy-efficient separations of gas mixtures with enhanced productivity compatible with the current membrane manufacturing.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation

The separation of xenon/krypton (Xe/Kr) mixtures is a challenging process. Many porous materials allow the adsorption of both Xe and Kr but only with low selectivity. Anion-pillared metal–organic frameworks (MOFs), featuring the anion groups as structural pillars, show potential in gas separations, but only a limited number of them have been synthesized. Here, we describe a collection of 936 anion-pillared MOFs based on 22 experimentally available structures. We performed density functional theory (DFT) optimization and then assigned density-derived electrostatic and chemical (DDEC) charges for each MOF to make them well suited to molecular simulations. The structural properties of the MOFs vary more strongly with the choice of the organic ligand than with other aspects like fluorine groups and metal centers. We then screened the entire collection of MOFs in the context of Xe/Kr separation at room temperature. Compared with previously reported MOFs, the interpenetrated MOF SIFSIX-6-Cd-i is predicted to perform better for Xe/Kr separations, with a good balance between working capacity (1.62 mmol/g) and separation selectivity (16.4) at 298 K and 100 kPa. Here, we also found that the heterogeneity of fluorine groups within a MOF can help to enhance Xe working capacity without reducing the Xe/Kr selectivity, suggesting that synthesis of anion-pillared MOFs with mixed fluorine groups may lead to improved Xe/Kr separation performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Flexible Zn-MOF with Rare Underlying scu Topology for Effective Separation of C6 Alkane Isomers

Adsorptive separation by porous solids provides an energy-efficient alternative for the purification of important chemical species compared to energy-intensive distillations. Particularly, the separation of linear hexane isomers from its branched counterparts is crucial to produce premium grade gasoline with high research octane number (RON). Herein, we report the synthesis of a new, flexible zinc-based metal-organic framework, [Zn 5 (μ 3 -OH) 2 (adtb) 2 (H 2 O) 5 ·5 DMA] (Zn-adtb), constructed from a butterfly shaped carboxylate linker with underlying (4,8)-connected scu topology capable of separating the C6 isomers nHEX, 3MP, and 23DMB. The sorbate-sorbent interactions and separation mechanisms were investigated and analyzed through in situ FTIR, solid state NMR measurements and computational modeling. Here these studies reveal that Zn-adtb discriminates the nHEX/3MP isomer pair through a kinetic separation mechanism and the nHEX/23DMB isomer pair through a molecular sieving mechanism. Column breakthrough measurements further demonstrate the efficient separation of linear nHEX from the mono- and dibranched isomers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Selective partitioning and uphill transport enable effective Li/Mg ion separation by negatively charged membranes

Efficient separation of lithium (Li + ) and magnesium (Mg 2+ ) is critical for enhancing sustainable lithium extraction from natural brines, which is vital for battery production and renewable energy technologies. Here we present a method for highly selective Li + /Mg 2+ separation driven by concentration gradients across negatively charged membranes with high charge densities. In contrast to typical electric field-driven transport in negatively charged membranes, where divalent cations generally permeate faster than monovalent cations, Li + ions in our system permeate the membrane at substantially higher rates than Mg 2+ ions. This unexpected selectivity stems from the selective ion partitioning properties of the membrane and the uphill transport of Mg 2+ ions against their external concentration gradient. We demonstrate the efficacy of this separation approach through bench-scale dialysis experiments using a model Atacama brine solution, achieving efficient separation of monovalent and divalent cations. As a result, the high separation efficiency observed in this study suggests a promising approach for monovalent/divalent ion separations, offering higher selectivity compared to current technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Electrically Driven Ion Separations in Permeable Membranes

Ion separations are critical for producing materials such as Li and rare-earth element salts that are essential for applications including energy storage and production. This research aimed to develop and understand separations of singly and multiply charged ions as well as separations among different singly charged ions such as Li + and Na + . Thin layers of polyelectrolytes on membranes allow passage of singly charged ions at rates 1000 times faster than those for multiply charged ions. This allows purification of mixtures with equal concentrations of Li + and Mg 2+ to create a permeate solution with >99% Li + . Such membranes may also effectively isolate rare earth elements. To separate Li + and K + , this work developed opposing flow and current in membranes. The current overcomes the flow of K + to allow Li + to selectively pass through the membrane, leading to Li + /K + selectivities around 70. All of the research employs modelling to better understand the mechanism of these separations, which includes transport driven by gradients in electrical potential, concentration, and pressure. The interplay of these driving forces can create highly selective separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Mesofluidic Inline Separation for Produced Water Treatment

Mesofluidic inline separation developed by PNNL represents an opportunity to remove a key barrier in the treatment of produced water, namely suspended solids that clog downstream operations. The US alone produces over 800 billion gallons of produced water each year, most of which is reinjected underground (but not into the aquifers) as waste. The impact from treating and reusing even a fraction of this wastewater is immense as aquifers in the Midwest and elsewhere dry. The work described herein is essential to leveraging the opportunity to improve produced water quality (to allow for beneficial use) by combining mesofluidic inline separators with reverse osmosis systems. Providing water for agricultural and industrial uses in the American Southwest and Midwest by allowing the reuse of petroleum produced water may be critical to the long-term economics of the region. This is especially true as drought conditions are rapidly lowering aquifer levels in these regions. The incumbent technology for desalination is reverse osmosis (RO) due to its ability to treat a wide range of feedwaters and technological maturity. However, suspended solids cause RO (and other dissolved solids removal technologies) to become clogged and loose performance. A common strategy is to use prefilters upstream of RO systems, but these membrane-based filters easily clog and require regular maintenance. Unlike membrane filters, mesofluidic inline separators provide removal of suspended solids with much lower pressure drops than conventional systems filtration systems, permitting substantially higher flowrates. Although the amount of produced water from petroleum operations is vast, only a small fraction of it is reused or turned into potable water, for example, because of the lack of technologies to remove both dissolved and suspended solids at a significant throughput. This project shows that mesofluidic inline separators coupled with a commercial dissolved solids removal technology (RO) are positioned to do exactly that. Mesofluidic inline separators fit within commercial piping and are tunable for particle sizes of interest as described below. Indeed, mesofluidic inline separators have remarkably smaller footprints than competing filtration technologies and are easily transportable from jobsite to jobsite. This technology has no moving parts so that solids removal can be accomplished at much lower operating cost.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRSDate not supplied

Validation Experiments of Incipient Turbulent Separation over an Axisymmetric Afterbody

Historically, the flow physics involved with most turbulent separated flows have presented fundamental challenges in validation between experimental and numerical approaches. As recognized by the CFD Vision 2030 study commissioned by NASA, validation of Reynolds-averaged Navier-Stokes (RANS) models and other scale-resolving methods for turbulent separated flow requires the support of advanced, high-fidelity experiments designed specifically for CFD implementation. In accordance with this effort, a new test platform, referred to as the NASA Axisymmetric Afterbody, was designed to obtain detailed information of the flow field over a smooth body, undergoing adverse pressure gradient induced separation for a fixed Reynolds number, Re = 180,000. The parametric body offers a range of flow states from fully attached,incipient separation, to fully separated flow based on variable afterbody geometries. In an initial effort to evaluate RANS turbulence model capabilities, the present configuration of the axisymmetric model features a mild adverse pressure gradient over the contoured boattail section, inducing incipient turbulent separation. Experiments include steady pressure measurements to serve as preliminary comparisons to simulation studies, which examine the effect of variable grid domains and RANS turbulence models, in an effort to understand and evaluate the critical variability between solutions for the present configuration. Results indicate potential discrepancies may be due to the effect of the square tunnel test section walls, relatively large blockage ratio, and inconsistent reference parameters. Ongoing work will focus on the experimental campaigns to obtain surface flow visualizations and high-resolution, off-body flow field measurements using Stereoscopic Particle Image Velocimetry (SPIV) and Laser Doppler Velocimetry (LDV) techniques to provide a detailed benchmark dataset to aid turbulence modelers.

axisymmetric afterbody↗

NASA NTRS2021

Simulation Study for Interoperability of Urban Air Mobility Scheduling and Separation Services in Ideal Conditions

Provision of strategic scheduling and tactical separation services is vital to the safe and efficient operation of vehicles in the urban airspace. This paper describes the efforts made towards the integration of two such services in a simulation environment under ideal conditions and the subsequent studies done on evaluation of system performance. The scheduling and separation services are set up to complement each other to ensure safe separation between airborne aircraft. The utility of these services will become important as the level of traffic increases. This paper describes the simulation experiments conducted to identify cases where the system performance measured by the number of observed losses of separation degrades even with the scheduling and separation services active. From the results obtained, we identify conditions under which the required maneuvers increase and when we observe airborne conflicts even with separation service active. Results obtained will inform requirements for future advancements both in these services independently and in their joint operations.

Urban Air Mobility↗

NASA NTRSDate not supplied

Simulation Study for Interoperability of Urban Air Mobility Scheduling and Separation Services in Ideal Conditions

Urban Air Mobility↗